5,5-dimethyl-4-methylidenehexan-3-ol

C9H18O — CID 12036613

IUPAC5,5-dimethyl-4-methylidenehexan-3-ol
SMILESC=C(C(O)CC)C(C)(C)C
InChIInChI=1S/C9H18O/c1-6-8(10)7(2)9(3,4)5/h8,10H,2,6H2,1,3-5H3
InChIKeyXJVMTVJAQCIONL-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds2

About 5,5-dimethyl-4-methylidenehexan-3-ol

5,5-dimethyl-4-methylidenehexan-3-ol (PubChem CID 12036613) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 5,5-dimethyl-4-methylidenehexan-3-ol.

Molecular Properties

Compound Name5,5-dimethyl-4-methylidenehexan-3-ol
PubChem CID12036613
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name5,5-dimethyl-4-methylidenehexan-3-ol
SMILESC=C(C(O)CC)C(C)(C)C
InChIInChI=1S/C9H18O/c1-6-8(10)7(2)9(3,4)5/h8,10H,2,6H2,1,3-5H3
InChIKeyXJVMTVJAQCIONL-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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

4,4-Dimethyl-2-methylene-1-pentanol
CID 78086
2,5-Dimethyl-1,5-hexadien-3-ol
CID 551242
2-Methyl-1-hepten-3-ol
CID 518678
2,2,4-Trimethylpent-4-en-1-ol
CID 543901
2,4,4-Trimethylpent-1-en-3-ol
CID 12949695
2,5-Dimethyl-5-hexen-3-ol
CID 144264
2,6-Dimethyl-1,6-heptadien-3-ol
CID 10942525
5-Methyl-4-methylidenehexan-3-ol
CID 12036610
(3R)-2-methylhept-1-en-3-ol
CID 54201248
Caryophylla-4(14),8(15)-dien-5a-ol
CID 6429047
4-Methylidenehexan-3-ol
CID 14590217
(3R)-2,6-dimethylhept-1-en-3-ol
CID 129906970

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-methylidenehexan-3-ol?
The IUPAC name of 5,5-dimethyl-4-methylidenehexan-3-ol (CID 12036613) is 5,5-dimethyl-4-methylidenehexan-3-ol.
What is the SMILES notation for 5,5-dimethyl-4-methylidenehexan-3-ol?
The canonical SMILES for 5,5-dimethyl-4-methylidenehexan-3-ol is C=C(C(O)CC)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-methylidenehexan-3-ol?
The InChIKey is XJVMTVJAQCIONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-6-8(10)7(2)9(3,4)5/h8,10H,2,6H2,1,3-5H3.
What are the key properties of 5,5-dimethyl-4-methylidenehexan-3-ol?
5,5-dimethyl-4-methylidenehexan-3-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-methylidenehexan-3-ol is sourced from PubChem (CID 12036613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).