3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol

C15H32O — CID 140680514

IUPAC3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol
SMILESCCC(C)C(C)C(C)(C(C)O)C(C)C(C)C
InChIInChI=1S/C15H32O/c1-9-11(4)13(6)15(8,14(7)16)12(5)10(2)3/h10-14,16H,9H2,1-8H3
InChIKeyDHHPOBBHYHECAW-UHFFFAOYSA-N
MW228.42 g/mol
LogP4.35
Rot. Bonds6

About 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol

3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol (PubChem CID 140680514) has the molecular formula C15H32O and a molecular weight of 228.42 g/mol. Its IUPAC name is 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol.

Molecular Properties

Compound Name3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol
PubChem CID140680514
Molecular FormulaC15H32O
Molecular Weight228.42 g/mol
Exact Mass228.25
IUPAC Name3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol
SMILESCCC(C)C(C)C(C)(C(C)O)C(C)C(C)C
InChIInChI=1S/C15H32O/c1-9-11(4)13(6)15(8,14(7)16)12(5)10(2)3/h10-14,16H,9H2,1-8H3
InChIKeyDHHPOBBHYHECAW-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,5,6-tetramethyloctan-2-ol
CID 156689477
2,2,3,4,5-pentamethylheptane
CID 53428630
2,3,5,5,6,7-hexamethylnonane
CID 91311352
3,4,5,6-tetramethyloctan-4-ol
CID 121007351
(2S,3R)-3-methylpentan-2-ol
CID 6993006
(3R,4R,5R,6R,7R,10S,11S)-2,3,4,5,6,7,8,8,9,9,10,11-dodecamethyltridecane
CID 159937980
2,4,4,5,6-pentamethyloctane
CID 57491109
5,6,6-trimethylheptane-3,4-diol
CID 139972408
3,5,7,7-tetramethyloctan-4-ol
CID 156689232
3,4,5-trimethylhexane-2,3-diol
CID 67159638
2-ethyl-3-methylpentane-1,1-diol
CID 151142103
2,6-dimethyloct-3-ene-2,5-diol
CID 154228438

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol?
The IUPAC name of 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol (CID 140680514) is 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol.
What is the SMILES notation for 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol?
The canonical SMILES for 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol is CCC(C)C(C)C(C)(C(C)O)C(C)C(C)C.
What is the InChIKey of 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol?
The InChIKey is DHHPOBBHYHECAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O/c1-9-11(4)13(6)15(8,14(7)16)12(5)10(2)3/h10-14,16H,9H2,1-8H3.
What are the key properties of 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol?
3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol has a molecular weight of 228.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethyl-3-(3-methylbutan-2-yl)heptan-2-ol is sourced from PubChem (CID 140680514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).