1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol

C56H128O14 — CID 160861863

About 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol

1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol (PubChem CID 160861863) has the molecular formula C56H128O14 and a molecular weight of 1025.63 g/mol. Its IUPAC name is 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol.

Molecular Properties

• Compound Name: 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol
• PubChem CID: 160861863
• Molecular Formula: C56H128O14
• Molecular Weight: 1025.63 g/mol
• Exact Mass: 1024.93
• IUPAC Name: 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol
• SMILES: CCC(CO)COC.CCC(COC)CC(C)C.CCC(O)COC.CC[C@@H](COC)C(C)C.COC(CC(C)C)CC(C)C.COC(CO)CO.COCC(O)CO.COC[C@H](CC(C)C)C(C)C
• InChI: InChI=1S/2C10H22O.C9H20O.C8H18O.C6H14O2.C5H12O2.2C4H10O3/c1-8(2)6-10(7-11-5)9(3)4;1-8(2)6-10(11-5)7-9(3)4;1-5-9(7-10-4)6-8(2)3;1-5-8(6-9-4)7(2)3;1-3-6(4-7)5-8-2;1-3-5(6)4-7-2;1-7-3-4(6)2-5;1-7-4(2-5)3-6/h2*8-10H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*4-6H,2-3H2,1H3/t10-;;;8-;;;;/m0..0..../s1
• InChIKey: SKPDAZHPWAGHQY-CVZAUKAOSA-N
• XLogP: 10.09
• TPSA: 195.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1025.63
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol?

The IUPAC name of 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol (CID 160861863) is 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol.

What is the SMILES notation for 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol?

The canonical SMILES for 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol is CCC(CO)COC.CCC(COC)CC(C)C.CCC(O)COC.CC[C@@H](COC)C(C)C.COC(CC(C)C)CC(C)C.COC(CO)CO.COCC(O)CO.COC[C@H](CC(C)C)C(C)C.

What is the InChIKey of 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol?

The InChIKey is SKPDAZHPWAGHQY-CVZAUKAOSA-N. The full InChI is InChI=1S/2C10H22O.C9H20O.C8H18O.C6H14O2.C5H12O2.2C4H10O3/c1-8(2)6-10(7-11-5)9(3)4;1-8(2)6-10(11-5)7-9(3)4;1-5-9(7-10-4)6-8(2)3;1-5-8(6-9-4)7(2)3;1-3-6(4-7)5-8-2;1-3-5(6)4-7-2;1-7-3-4(6)2-5;1-7-4(2-5)3-6/h2*8-10H,6-7H2,1-5H3;8-9H,5-7H2,1-4H3;7-8H,5-6H2,1-4H3;6-7H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;2*4-6H,2-3H2,1H3/t10-;;;8-;;;;/m0..0..../s1.

What are the key properties of 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol?

1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol has a molecular weight of 1025.63 g/mol, XLogP of 10.09, 32 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxybutan-2-ol;4-methoxy-2,6-dimethylheptane;2-(methoxymethyl)butan-1-ol;(3R)-3-(methoxymethyl)-2,5-dimethylhexane;4-(methoxymethyl)-2-methylhexane;(3R)-3-(methoxymethyl)-2-methylpentane;2-methoxypropane-1,3-diol;3-methoxypropane-1,2-diol is sourced from PubChem (CID 160861863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).