(E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol

C15H26O — CID 20767171

IUPAC(E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol
SMILESC/C=C(\CCO)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H26O/c1-5-12(10-11-16)13-6-8-14(9-7-13)15(2,3)4/h5-6,14,16H,7-11H2,1-4H3/b12-5+
InChIKeyRSXFSKFRYAHJNL-LFYBBSHMSA-N
MW222.37 g/mol
LogP4.09
Rot. Bonds3

About (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol

(E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol (PubChem CID 20767171) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol
PubChem CID20767171
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol
SMILESC/C=C(\CCO)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H26O/c1-5-12(10-11-16)13-6-8-14(9-7-13)15(2,3)4/h5-6,14,16H,7-11H2,1-4H3/b12-5+
InChIKeyRSXFSKFRYAHJNL-LFYBBSHMSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Nopol
CID 31408
Dehydrodihydroionol
CID 62126
p-MENTH-1-EN-9-OL
CID 86753
Nopol, (+-)-
CID 1272250
Zeinoxanthin
CID 5281234
13,14-Dihydroretinol
CID 446798
Isocyclogeraniol
CID 109458
Sandalore
CID 103212
(-)-Drimenol
CID 3080551
Camelliol C
CID 6476390
3-Cyclopentene-1-butanol, beta,2,2,3-tetramethyl-
CID 166220
Methylcyclohexenyl butanol
CID 85903

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol?
The IUPAC name of (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol (CID 20767171) is (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol.
What is the SMILES notation for (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol?
The canonical SMILES for (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol is C/C=C(\CCO)C1=CCC(C(C)(C)C)CC1.
What is the InChIKey of (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol?
The InChIKey is RSXFSKFRYAHJNL-LFYBBSHMSA-N. The full InChI is InChI=1S/C15H26O/c1-5-12(10-11-16)13-6-8-14(9-7-13)15(2,3)4/h5-6,14,16H,7-11H2,1-4H3/b12-5+.
What are the key properties of (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol?
(E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol has a molecular weight of 222.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-tert-butylcyclohexen-1-yl)pent-3-en-1-ol is sourced from PubChem (CID 20767171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).