(2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol

C17H24O — CID 101438010

IUPAC(2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol
SMILESCCCCCC(=C=C(C)[C@H](C)O)c1ccccc1
InChIInChI=1S/C17H24O/c1-4-5-7-12-17(13-14(2)15(3)18)16-10-8-6-9-11-16/h6,8-11,15,18H,4-5,7,12H2,1-3H3/t13?,15-/m0/s1
InChIKeySQOBVGJROWJWEN-WUJWULDRSA-N
MW244.38 g/mol
LogP4.58
Rot. Bonds6

About (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol

(2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol (PubChem CID 101438010) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol.

Molecular Properties

Compound Name(2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol
PubChem CID101438010
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol
SMILESCCCCCC(=C=C(C)[C@H](C)O)c1ccccc1
InChIInChI=1S/C17H24O/c1-4-5-7-12-17(13-14(2)15(3)18)16-10-8-6-9-11-16/h6,8-11,15,18H,4-5,7,12H2,1-3H3/t13?,15-/m0/s1
InChIKeySQOBVGJROWJWEN-WUJWULDRSA-N
XLogP4.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

nona-1,2-dien-3-ylbenzene
CID 11310172
[1-(benzenesulfonyl)-1-phenylocta-1,2-dien-3-yl]benzene
CID 86049180
(2-methyl-1-phenylhept-1-enyl)benzene
CID 173231724
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
(Z)-7-methyl-3-pentyl-4-phenyloct-3-en-5-yne-2,7-diol
CID 46210116
CID 132915644
CID 132915644
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
hexane;propan-2-ol;toluene
CID 70146833
hexane;1-phenylethanone
CID 160797049
1-(1-ethoxy-3-phenylocta-1,2-dienyl)-1,2,4-triazole
CID 10685430
benzoic acid;dodecanoic acid;3-methylpentane-2,4-diol
CID 159623984
1-phenylheptadecan-1-one
CID 577626

Frequently Asked Questions

What is the IUPAC name of (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol?
The IUPAC name of (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol (CID 101438010) is (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol.
What is the SMILES notation for (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol?
The canonical SMILES for (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol is CCCCCC(=C=C(C)[C@H](C)O)c1ccccc1.
What is the InChIKey of (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol?
The InChIKey is SQOBVGJROWJWEN-WUJWULDRSA-N. The full InChI is InChI=1S/C17H24O/c1-4-5-7-12-17(13-14(2)15(3)18)16-10-8-6-9-11-16/h6,8-11,15,18H,4-5,7,12H2,1-3H3/t13?,15-/m0/s1.
What are the key properties of (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol?
(2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol has a molecular weight of 244.38 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-5-phenyldeca-3,4-dien-2-ol is sourced from PubChem (CID 101438010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).