cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C15H26O2 — CID 101266253

IUPACcis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESC=C/C(=C/CO)C1(O)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O2/c1-5-13(8-9-16)15(17)10-12(4)6-7-14(15)11(2)3/h5,8,11-12,14,16-17H,1,6-7,9-10H2,2-4H3/b13-8-/t12-,14+,15?/m1/s1
InChIKeyGXLZSXOVRYFRDA-JMSOMHQASA-N
MW238.37 g/mol
LogP2.91
Rot. Bonds4

About cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 101266253) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID101266253
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namecis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESC=C/C(=C/CO)C1(O)C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C15H26O2/c1-5-13(8-9-16)15(17)10-12(4)6-7-14(15)11(2)3/h5,8,11-12,14,16-17H,1,6-7,9-10H2,2-4H3/b13-8-/t12-,14+,15?/m1/s1
InChIKeyGXLZSXOVRYFRDA-JMSOMHQASA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 101266253) is cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is C=C/C(=C/CO)C1(O)C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is GXLZSXOVRYFRDA-JMSOMHQASA-N. The full InChI is InChI=1S/C15H26O2/c1-5-13(8-9-16)15(17)10-12(4)6-7-14(15)11(2)3/h5,8,11-12,14,16-17H,1,6-7,9-10H2,2-4H3/b13-8-/t12-,14+,15?/m1/s1.
What are the key properties of cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 238.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,5R)-1-[(3Z)-5-hydroxypenta-1,3-dien-3-yl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 101266253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).