(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol

C14H26O2 — CID 11276209

IUPAC(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
SMILESC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-4-10(2)13(15)11(3)14(16)12-8-6-5-7-9-12/h4,10-16H,1,5-9H2,2-3H3/t10-,11-,13-,14-/m0/s1
InChIKeyQBWNYNKQOJHQBU-IMIFBBOLSA-N
MW226.36 g/mol
LogP2.75
Rot. Bonds5

About (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol

(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol (PubChem CID 11276209) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
PubChem CID11276209
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol
SMILESC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C1CCCCC1
InChIInChI=1S/C14H26O2/c1-4-10(2)13(15)11(3)14(16)12-8-6-5-7-9-12/h4,10-16H,1,5-9H2,2-3H3/t10-,11-,13-,14-/m0/s1
InChIKeyQBWNYNKQOJHQBU-IMIFBBOLSA-N
XLogP2.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.75
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,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol?
The IUPAC name of (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol (CID 11276209) is (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol.
What is the SMILES notation for (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol?
The canonical SMILES for (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol is C=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol?
The InChIKey is QBWNYNKQOJHQBU-IMIFBBOLSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-10(2)13(15)11(3)14(16)12-8-6-5-7-9-12/h4,10-16H,1,5-9H2,2-3H3/t10-,11-,13-,14-/m0/s1.
What are the key properties of (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol?
(1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol has a molecular weight of 226.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S)-1-cyclohexyl-2,4-dimethylhex-5-ene-1,3-diol is sourced from PubChem (CID 11276209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).