(1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol

C15H26O2 — CID 163013433

IUPAC(1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol
SMILESC=C(C)[C@H](O)CC[C@@H](C)[C@H]1CCC(C)=C[C@@H]1O
InChIInChI=1S/C15H26O2/c1-10(2)14(16)8-6-12(4)13-7-5-11(3)9-15(13)17/h9,12-17H,1,5-8H2,2-4H3/t12-,13-,14-,15+/m1/s1
InChIKeyCDNZQVUVVDBNTE-TUVASFSCSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds5

About (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol

(1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol (PubChem CID 163013433) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol
PubChem CID163013433
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol
SMILESC=C(C)[C@H](O)CC[C@@H](C)[C@H]1CCC(C)=C[C@@H]1O
InChIInChI=1S/C15H26O2/c1-10(2)14(16)8-6-12(4)13-7-5-11(3)9-15(13)17/h9,12-17H,1,5-8H2,2-4H3/t12-,13-,14-,15+/m1/s1
InChIKeyCDNZQVUVVDBNTE-TUVASFSCSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
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 (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol?
The IUPAC name of (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol (CID 163013433) is (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol?
The canonical SMILES for (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol is C=C(C)[C@H](O)CC[C@@H](C)[C@H]1CCC(C)=C[C@@H]1O.
What is the InChIKey of (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol?
The InChIKey is CDNZQVUVVDBNTE-TUVASFSCSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)14(16)8-6-12(4)13-7-5-11(3)9-15(13)17/h9,12-17H,1,5-8H2,2-4H3/t12-,13-,14-,15+/m1/s1.
What are the key properties of (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol?
(1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-6-[(2R,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-3-methylcyclohex-2-en-1-ol is sourced from PubChem (CID 163013433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).