(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol

C15H24O — CID 163019567

IUPAC(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol
SMILESC=C(C/C=C/C(C)(C)O)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7,11,14,16H,2,6,8-10H2,1,3-4H3/b11-5+/t14-/m0/s1
InChIKeyUMHJVDDWUSONQN-GJIAFCOMSA-N
MW220.36 g/mol
LogP4.01
Rot. Bonds4

About (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol

(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol (PubChem CID 163019567) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol.

Molecular Properties

Compound Name(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol
PubChem CID163019567
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol
SMILESC=C(C/C=C/C(C)(C)O)[C@H]1CC=C(C)CC1
InChIInChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7,11,14,16H,2,6,8-10H2,1,3-4H3/b11-5+/t14-/m0/s1
InChIKeyUMHJVDDWUSONQN-GJIAFCOMSA-N
XLogP4.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.01
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 (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol?
The IUPAC name of (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol (CID 163019567) is (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol.
What is the SMILES notation for (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol?
The canonical SMILES for (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol is C=C(C/C=C/C(C)(C)O)[C@H]1CC=C(C)CC1.
What is the InChIKey of (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol?
The InChIKey is UMHJVDDWUSONQN-GJIAFCOMSA-N. The full InChI is InChI=1S/C15H24O/c1-12-7-9-14(10-8-12)13(2)6-5-11-15(3,4)16/h5,7,11,14,16H,2,6,8-10H2,1,3-4H3/b11-5+/t14-/m0/s1.
What are the key properties of (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol?
(3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol has a molecular weight of 220.36 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methyl-6-[(1R)-4-methylcyclohex-3-en-1-yl]hepta-3,6-dien-2-ol is sourced from PubChem (CID 163019567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).