(3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol

C10H16O — CID 162868343

IUPAC(3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol
SMILESC=CC(=C)CC[C@@H](O)C(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,10-11H,1-2,4,6-7H2,3H3/t10-/m1/s1
InChIKeySQRIUUSIOSHZFA-SNVBAGLBSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds5

About (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol

(3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol (PubChem CID 162868343) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol.

Molecular Properties

Compound Name(3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol
PubChem CID162868343
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol
SMILESC=CC(=C)CC[C@@H](O)C(=C)C
InChIInChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,10-11H,1-2,4,6-7H2,3H3/t10-/m1/s1
InChIKeySQRIUUSIOSHZFA-SNVBAGLBSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Octen-3-Ol
CID 18827
1-Nonen-3-ol
CID 89560
1-Hepten-3-OL
CID 21057
1-Decen-3-ol
CID 170977
(R)-oct-1-en-3-ol
CID 6992244
1-Undecen-3-ol
CID 3015762
(S)-1-Octen-3-ol
CID 2724898
7-Octen-2-ol
CID 542172
7-Octen-4-OL
CID 40923
1-Octen-4-ol
CID 142471
1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
Octa-1,7-dien-3-ol
CID 545738

Frequently Asked Questions

What is the IUPAC name of (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol?
The IUPAC name of (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol (CID 162868343) is (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol.
What is the SMILES notation for (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol?
The canonical SMILES for (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol is C=CC(=C)CC[C@@H](O)C(=C)C.
What is the InChIKey of (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol?
The InChIKey is SQRIUUSIOSHZFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,10-11H,1-2,4,6-7H2,3H3/t10-/m1/s1.
What are the key properties of (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol?
(3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methyl-6-methylideneocta-1,7-dien-3-ol is sourced from PubChem (CID 162868343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).