(3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol

C15H26O2 — CID 162914906

IUPAC(3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol
SMILESC=C(CC[C@@H](O)C(C)(C)O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,13-14,16-17H,2,6-10H2,1,3-4H3/t13-,14-/m1/s1
InChIKeyICHZVZARHVXZEH-ZIAGYGMSSA-N
MW238.37 g/mol
LogP3.20
Rot. Bonds5

About (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol

(3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol (PubChem CID 162914906) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol.

Molecular Properties

Compound Name(3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol
PubChem CID162914906
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol
SMILESC=C(CC[C@@H](O)C(C)(C)O)[C@@H]1CC=C(C)CC1
InChIInChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,13-14,16-17H,2,6-10H2,1,3-4H3/t13-,14-/m1/s1
InChIKeyICHZVZARHVXZEH-ZIAGYGMSSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bisabolol oxide B
CID 117301
Rishitin
CID 108064
Uroterpenol
CID 93024
2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)oxan-3-ol
CID 90806
Methylcyclohexenyl butanol
CID 85903
4-(2-Hydroxy-2-propyl)cyclohexene-1-methanol
CID 110662
7-Isopropenyl-1-methyl-1,2,3,4,5,6,7,8-octahydro-2,3-naphthalenediol
CID 534260
6-Ethyl-3-methyloct-6-en-1-ol
CID 117306
5,9-Dimethyl-8-decen-3-ol
CID 89186
Bisabolol oxide A
CID 13092559
2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
Lepidiumsesterterpenol
CID 10643653

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol?
The IUPAC name of (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol (CID 162914906) is (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol.
What is the SMILES notation for (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol?
The canonical SMILES for (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol is C=C(CC[C@@H](O)C(C)(C)O)[C@@H]1CC=C(C)CC1.
What is the InChIKey of (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol?
The InChIKey is ICHZVZARHVXZEH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H26O2/c1-11-5-8-13(9-6-11)12(2)7-10-14(16)15(3,4)17/h5,13-14,16-17H,2,6-10H2,1,3-4H3/t13-,14-/m1/s1.
What are the key properties of (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol?
(3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol has a molecular weight of 238.37 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-6-[(1S)-4-methylcyclohex-3-en-1-yl]hept-6-ene-2,3-diol is sourced from PubChem (CID 162914906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).