(4R)-4-methylpentadec-1-en-2-ol

C16H32O — CID 122522386

IUPAC(4R)-4-methylpentadec-1-en-2-ol
SMILESC=C(O)C[C@H](C)CCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-15(2)14-16(3)17/h15,17H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyBLZKPISEOIFBFD-OAHLLOKOSA-N
MW240.43 g/mol
LogP6.01
Rot. Bonds12

About (4R)-4-methylpentadec-1-en-2-ol

(4R)-4-methylpentadec-1-en-2-ol (PubChem CID 122522386) has the molecular formula C16H32O and a molecular weight of 240.43 g/mol. Its IUPAC name is (4R)-4-methylpentadec-1-en-2-ol.

Molecular Properties

Compound Name(4R)-4-methylpentadec-1-en-2-ol
PubChem CID122522386
Molecular FormulaC16H32O
Molecular Weight240.43 g/mol
Exact Mass240.25
IUPAC Name(4R)-4-methylpentadec-1-en-2-ol
SMILESC=C(O)C[C@H](C)CCCCCCCCCCC
InChIInChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-15(2)14-16(3)17/h15,17H,3-14H2,1-2H3/t15-/m1/s1
InChIKeyBLZKPISEOIFBFD-OAHLLOKOSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.43
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-methylideneheptadecanoic acid
CID 123985234
2,4-dimethylnon-1-ene
CID 55268908
3-methylnonadecanoic acid
CID 13392624
(3S)-3-methylhexadecanoic acid
CID 54227409
3-methyloctanoic acid
CID 5312327
10,16-dimethyldotriacontane
CID 91748795
8-methyloctadecane
CID 530154
11-methylpentacosane
CID 526107
7,13-dimethylnonatriacontane
CID 91752073
7,13-dimethylhexacosane
CID 91751102
15-methylhentetracontane
CID 56936162
6-methylheptacosane
CID 22223776

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methylpentadec-1-en-2-ol?
The IUPAC name of (4R)-4-methylpentadec-1-en-2-ol (CID 122522386) is (4R)-4-methylpentadec-1-en-2-ol.
What is the SMILES notation for (4R)-4-methylpentadec-1-en-2-ol?
The canonical SMILES for (4R)-4-methylpentadec-1-en-2-ol is C=C(O)C[C@H](C)CCCCCCCCCCC.
What is the InChIKey of (4R)-4-methylpentadec-1-en-2-ol?
The InChIKey is BLZKPISEOIFBFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32O/c1-4-5-6-7-8-9-10-11-12-13-15(2)14-16(3)17/h15,17H,3-14H2,1-2H3/t15-/m1/s1.
What are the key properties of (4R)-4-methylpentadec-1-en-2-ol?
(4R)-4-methylpentadec-1-en-2-ol has a molecular weight of 240.43 g/mol, XLogP of 6.01, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methylpentadec-1-en-2-ol is sourced from PubChem (CID 122522386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).