(2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol

C15H28O2 — CID 162936685

IUPAC(2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol
SMILESC[C@H](CO)CCCC1=CC[C@@H](C(C)(C)O)CC1
InChIInChI=1S/C15H28O2/c1-12(11-16)5-4-6-13-7-9-14(10-8-13)15(2,3)17/h7,12,14,16-17H,4-6,8-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyRTRSZZNEAVOVSG-GXTWGEPZSA-N
MW240.39 g/mol
LogP3.28
Rot. Bonds6

About (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol

(2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol (PubChem CID 162936685) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol.

Molecular Properties

Compound Name(2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol
PubChem CID162936685
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol
SMILESC[C@H](CO)CCCC1=CC[C@@H](C(C)(C)O)CC1
InChIInChI=1S/C15H28O2/c1-12(11-16)5-4-6-13-7-9-14(10-8-13)15(2,3)17/h7,12,14,16-17H,4-6,8-11H2,1-3H3/t12-,14+/m0/s1
InChIKeyRTRSZZNEAVOVSG-GXTWGEPZSA-N
XLogP3.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol?
The IUPAC name of (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol (CID 162936685) is (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol.
What is the SMILES notation for (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol?
The canonical SMILES for (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol is C[C@H](CO)CCCC1=CC[C@@H](C(C)(C)O)CC1.
What is the InChIKey of (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol?
The InChIKey is RTRSZZNEAVOVSG-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H28O2/c1-12(11-16)5-4-6-13-7-9-14(10-8-13)15(2,3)17/h7,12,14,16-17H,4-6,8-11H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol?
(2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-[(4S)-4-(2-hydroxypropan-2-yl)cyclohexen-1-yl]-2-methylpentan-1-ol is sourced from PubChem (CID 162936685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).