3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol

C18H24O — CID 129164549

IUPAC3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol
SMILESCCC(C)CCc1c(C)cc(O)c2ccc(C)cc12
InChIInChI=1S/C18H24O/c1-5-12(2)6-8-15-14(4)11-18(19)16-9-7-13(3)10-17(15)16/h7,9-12,19H,5-6,8H2,1-4H3
InChIKeyPIVPVFMUUGOUPO-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.14
Rot. Bonds4

About 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol

3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol (PubChem CID 129164549) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol.

Molecular Properties

Compound Name3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol
PubChem CID129164549
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol
SMILESCCC(C)CCc1c(C)cc(O)c2ccc(C)cc12
InChIInChI=1S/C18H24O/c1-5-12(2)6-8-15-14(4)11-18(19)16-9-7-13(3)10-17(15)16/h7,9-12,19H,5-6,8H2,1-4H3
InChIKeyPIVPVFMUUGOUPO-UHFFFAOYSA-N
XLogP5.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol?
The IUPAC name of 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol (CID 129164549) is 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol.
What is the SMILES notation for 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol?
The canonical SMILES for 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol is CCC(C)CCc1c(C)cc(O)c2ccc(C)cc12.
What is the InChIKey of 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol?
The InChIKey is PIVPVFMUUGOUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-5-12(2)6-8-15-14(4)11-18(19)16-9-7-13(3)10-17(15)16/h7,9-12,19H,5-6,8H2,1-4H3.
What are the key properties of 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol?
3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol has a molecular weight of 256.39 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-(3-methylpentyl)naphthalen-1-ol is sourced from PubChem (CID 129164549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).