(3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol

C15H30O — CID 54468843

IUPAC(3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol
SMILESCC[C@H](O)[C@@H](C)CCC(C)C(C)C=C(C)C
InChIInChI=1S/C15H30O/c1-7-15(16)13(5)9-8-12(4)14(6)10-11(2)3/h10,12-16H,7-9H2,1-6H3/t12?,13-,14?,15-/m0/s1
InChIKeyXGWJVIVCNQQYHZ-SHWKFHJASA-N
MW226.40 g/mol
LogP4.41
Rot. Bonds7

About (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol

(3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol (PubChem CID 54468843) has the molecular formula C15H30O and a molecular weight of 226.40 g/mol. Its IUPAC name is (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol.

Molecular Properties

Compound Name(3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol
PubChem CID54468843
Molecular FormulaC15H30O
Molecular Weight226.40 g/mol
Exact Mass226.23
IUPAC Name(3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol
SMILESCC[C@H](O)[C@@H](C)CCC(C)C(C)C=C(C)C
InChIInChI=1S/C15H30O/c1-7-15(16)13(5)9-8-12(4)14(6)10-11(2)3/h10,12-16H,7-9H2,1-6H3/t12?,13-,14?,15-/m0/s1
InChIKeyXGWJVIVCNQQYHZ-SHWKFHJASA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.40
LogP ≤ 54.41
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

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(3R,4R)-6-amino-4-methylhexan-3-ol
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4,7,7-trimethyloctan-3-ol
CID 63562017
4-methyltetratriacontan-3-ol
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4-methyltricosan-3-ol
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(4R)-2,4-dimethylhex-2-ene
CID 142611901
5-methylheptane-3,4-diol
CID 21486220
6-ethyl-2,4,5,8-tetramethylnon-2-ene
CID 123866412
(3-hydroxy-2-methylpentyl) 2-methylbut-2-enoate
CID 57255254
benzoic acid;2,6-dimethylnonane-3,7-diol
CID 174428365

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol?
The IUPAC name of (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol (CID 54468843) is (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol.
What is the SMILES notation for (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol?
The canonical SMILES for (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol is CC[C@H](O)[C@@H](C)CCC(C)C(C)C=C(C)C.
What is the InChIKey of (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol?
The InChIKey is XGWJVIVCNQQYHZ-SHWKFHJASA-N. The full InChI is InChI=1S/C15H30O/c1-7-15(16)13(5)9-8-12(4)14(6)10-11(2)3/h10,12-16H,7-9H2,1-6H3/t12?,13-,14?,15-/m0/s1.
What are the key properties of (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol?
(3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol has a molecular weight of 226.40 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4,7,8,10-tetramethylundec-9-en-3-ol is sourced from PubChem (CID 54468843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).