4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol

C17H30O — CID 91611059

IUPAC4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol
SMILESCCCCC(O)(CCC)CC1=CC=CCCC1C
InChIInChI=1S/C17H30O/c1-4-6-13-17(18,12-5-2)14-16-11-9-7-8-10-15(16)3/h7,9,11,15,18H,4-6,8,10,12-14H2,1-3H3
InChIKeyFXJAKWMUPXXTIH-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.01
Rot. Bonds7

About 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol

4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol (PubChem CID 91611059) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol.

Molecular Properties

Compound Name4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol
PubChem CID91611059
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol
SMILESCCCCC(O)(CCC)CC1=CC=CCCC1C
InChIInChI=1S/C17H30O/c1-4-6-13-17(18,12-5-2)14-16-11-9-7-8-10-15(16)3/h7,9,11,15,18H,4-6,8,10,12-14H2,1-3H3
InChIKeyFXJAKWMUPXXTIH-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
2,2-dimethyl-3-(5-methylcyclopenten-1-yl)propan-1-ol
CID 14114555
2-propyloctane-1,2-diol
CID 88923937
4-(2-cyclopropylethyl)heptan-4-ol
CID 106590631
(5E)-3-butyl-1-methyl-2,3,7,8,9,10,11,11a-octahydro-1H-cyclopenta[10]annulene
CID 173198111
8-benzylpentadecan-8-ol
CID 13016086
5-(phosphanylmethyl)nonan-5-ol
CID 140650139
9-ethylheptadecan-9-ol
CID 86166082
3-propyloctane-1,3-diol
CID 88923981
5-ethylnonane-1,5-diol
CID 87121663
4-[2-(4-hydroxy-3-methylcyclohexyl)hexan-2-yl]-2-methylcyclohexan-1-ol
CID 139825078

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol?
The IUPAC name of 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol (CID 91611059) is 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol.
What is the SMILES notation for 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol?
The canonical SMILES for 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol is CCCCC(O)(CCC)CC1=CC=CCCC1C.
What is the InChIKey of 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol?
The InChIKey is FXJAKWMUPXXTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-4-6-13-17(18,12-5-2)14-16-11-9-7-8-10-15(16)3/h7,9,11,15,18H,4-6,8,10,12-14H2,1-3H3.
What are the key properties of 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol?
4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol has a molecular weight of 250.43 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methylcyclohepta-1,3-dien-1-yl)methyl]octan-4-ol is sourced from PubChem (CID 91611059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).