(Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol

C18H32O — CID 11277074

IUPAC(Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol
SMILESCCCC/C=C(/CCO)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32O/c1-5-6-7-8-15(13-14-19)16-9-11-17(12-10-16)18(2,3)4/h8-9,17,19H,5-7,10-14H2,1-4H3/b15-8-
InChIKeyFLJAESJMBHROKD-NVNXTCNLSA-N
MW264.45 g/mol
LogP5.26
Rot. Bonds6

About (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol

(Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol (PubChem CID 11277074) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol.

Molecular Properties

Compound Name(Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol
PubChem CID11277074
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name(Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol
SMILESCCCC/C=C(/CCO)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C18H32O/c1-5-6-7-8-15(13-14-19)16-9-11-17(12-10-16)18(2,3)4/h8-9,17,19H,5-7,10-14H2,1-4H3/b15-8-
InChIKeyFLJAESJMBHROKD-NVNXTCNLSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-tert-butylcyclohexen-1-yl)(113C)propanal
CID 175712383
(E)-3-(4-tert-butylcyclohexen-1-yl)-1-phenylbut-2-en-1-one
CID 122202804
2-[(E)-3-(4-tert-butylcyclohexen-1-yl)but-2-enoxy]oxane
CID 102509937
1-bromo-4-tert-butylcyclohexene
CID 11469993
CID 59694830
CID 59694830
4-tert-butyl-1-methylcyclohexene;ethane
CID 143859971
1-(4-tert-butylcyclohexen-1-yl)-4-ethylbenzene
CID 90705107
(4-tert-butylcyclohexen-1-yl)-trimethylsilane
CID 11052929
methyl 4-(2-hydroxy-6-methylhept-5-en-2-yl)cyclohexene-1-carboxylate
CID 14539943
2-methyl-3-[(E)-oct-3-en-3-yl]cyclohexa-1,3-diene
CID 143644064
4-tert-butyl-1-ethynylcyclohexene
CID 15783605
CID 102086849
CID 102086849

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol?
The IUPAC name of (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol (CID 11277074) is (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol.
What is the SMILES notation for (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol?
The canonical SMILES for (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol is CCCC/C=C(/CCO)C1=CCC(C(C)(C)C)CC1.
What is the InChIKey of (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol?
The InChIKey is FLJAESJMBHROKD-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H32O/c1-5-6-7-8-15(13-14-19)16-9-11-17(12-10-16)18(2,3)4/h8-9,17,19H,5-7,10-14H2,1-4H3/b15-8-.
What are the key properties of (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol?
(Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol has a molecular weight of 264.45 g/mol, XLogP of 5.26, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-tert-butylcyclohexen-1-yl)oct-3-en-1-ol is sourced from PubChem (CID 11277074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).