4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

C14H26O2 — CID 145410429

IUPAC4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCCCC1CC(OC)C2CCC(C)CC2O1
InChIInChI=1S/C14H26O2/c1-4-5-11-9-13(15-3)12-7-6-10(2)8-14(12)16-11/h10-14H,4-9H2,1-3H3
InChIKeyNBKBWCQVAFGGQN-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.40
Rot. Bonds3

About 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene

4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (PubChem CID 145410429) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.

Molecular Properties

Compound Name4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
PubChem CID145410429
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
SMILESCCCC1CC(OC)C2CCC(C)CC2O1
InChIInChI=1S/C14H26O2/c1-4-5-11-9-13(15-3)12-7-6-10(2)8-14(12)16-11/h10-14H,4-9H2,1-3H3
InChIKeyNBKBWCQVAFGGQN-UHFFFAOYSA-N
XLogP3.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The IUPAC name of 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene (CID 145410429) is 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene.
What is the SMILES notation for 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The canonical SMILES for 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is CCCC1CC(OC)C2CCC(C)CC2O1.
What is the InChIKey of 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
The InChIKey is NBKBWCQVAFGGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-11-9-13(15-3)12-7-6-10(2)8-14(12)16-11/h10-14H,4-9H2,1-3H3.
What are the key properties of 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene?
4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene has a molecular weight of 226.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-7-methyl-2-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene is sourced from PubChem (CID 145410429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).