3-methyl-6-methylideneoctan-4-ol

C10H20O — CID 66045779

IUPAC3-methyl-6-methylideneoctan-4-ol
SMILESC=C(CC)CC(O)C(C)CC
InChIInChI=1S/C10H20O/c1-5-8(3)7-10(11)9(4)6-2/h9-11H,3,5-7H2,1-2,4H3
InChIKeyCMAJCRUFRCRRMC-UHFFFAOYSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About 3-methyl-6-methylideneoctan-4-ol

3-methyl-6-methylideneoctan-4-ol (PubChem CID 66045779) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-methyl-6-methylideneoctan-4-ol.

Molecular Properties

Compound Name3-methyl-6-methylideneoctan-4-ol
PubChem CID66045779
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name3-methyl-6-methylideneoctan-4-ol
SMILESC=C(CC)CC(O)C(C)CC
InChIInChI=1S/C10H20O/c1-5-8(3)7-10(11)9(4)6-2/h9-11H,3,5-7H2,1-2,4H3
InChIKeyCMAJCRUFRCRRMC-UHFFFAOYSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-5-methylideneheptan-3-ol
CID 66046001
1,1-diethoxy-4-methylidenehexan-2-ol
CID 79495661
4-hydroxy-5-methylheptan-2-one
CID 57287974
1-cyclopropyl-4-methylidenehexane-1,2-diol
CID 103457031
2-methyl-5-methylideneheptan-3-amine
CID 66044107
3-methyl-N-(2-methylidenebutyl)pentan-2-amine
CID 66045931
1-ethoxy-4-methylidenehexan-2-ol
CID 66046480
2-methoxy-5-methylideneheptan-3-amine
CID 79616919
1-methoxy-4-methylidene-1-phenylhexan-2-ol
CID 116756832
2-bromo-2,5-dimethylheptan-4-ol
CID 18920894
3-methyl-1-methylsulfanylpentan-2-ol
CID 79444760
(2S,3R)-3-methylpentan-2-ol
CID 6993006

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylideneoctan-4-ol?
The IUPAC name of 3-methyl-6-methylideneoctan-4-ol (CID 66045779) is 3-methyl-6-methylideneoctan-4-ol.
What is the SMILES notation for 3-methyl-6-methylideneoctan-4-ol?
The canonical SMILES for 3-methyl-6-methylideneoctan-4-ol is C=C(CC)CC(O)C(C)CC.
What is the InChIKey of 3-methyl-6-methylideneoctan-4-ol?
The InChIKey is CMAJCRUFRCRRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O/c1-5-8(3)7-10(11)9(4)6-2/h9-11H,3,5-7H2,1-2,4H3.
What are the key properties of 3-methyl-6-methylideneoctan-4-ol?
3-methyl-6-methylideneoctan-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylideneoctan-4-ol is sourced from PubChem (CID 66045779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).