(6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol

C16H26O — CID 143690626

IUPAC(6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol
SMILESCC1=C(CC[C@H]2CCC=CC2O)C[C@H](C)CC1
InChIInChI=1S/C16H26O/c1-12-7-8-13(2)15(11-12)10-9-14-5-3-4-6-16(14)17/h4,6,12,14,16-17H,3,5,7-11H2,1-2H3/t12-,14-,16?/m1/s1
InChIKeyKBLZWBAWIJMDJR-OJDRRSAWSA-N
MW234.38 g/mol
LogP4.23
Rot. Bonds3

About (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol

(6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol (PubChem CID 143690626) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name(6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol
PubChem CID143690626
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name(6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol
SMILESCC1=C(CC[C@H]2CCC=CC2O)C[C@H](C)CC1
InChIInChI=1S/C16H26O/c1-12-7-8-13(2)15(11-12)10-9-14-5-3-4-6-16(14)17/h4,6,12,14,16-17H,3,5,7-11H2,1-2H3/t12-,14-,16?/m1/s1
InChIKeyKBLZWBAWIJMDJR-OJDRRSAWSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol?
The IUPAC name of (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol (CID 143690626) is (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol?
The canonical SMILES for (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol is CC1=C(CC[C@H]2CCC=CC2O)C[C@H](C)CC1.
What is the InChIKey of (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol?
The InChIKey is KBLZWBAWIJMDJR-OJDRRSAWSA-N. The full InChI is InChI=1S/C16H26O/c1-12-7-8-13(2)15(11-12)10-9-14-5-3-4-6-16(14)17/h4,6,12,14,16-17H,3,5,7-11H2,1-2H3/t12-,14-,16?/m1/s1.
What are the key properties of (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol?
(6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[2-[(5R)-2,5-dimethylcyclohexen-1-yl]ethyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 143690626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).