(Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol

C13H26O — CID 170848623

IUPAC(Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol
SMILESCC(C)/C=C\CC(O)(C(C)C)C(C)C
InChIInChI=1S/C13H26O/c1-10(2)8-7-9-13(14,11(3)4)12(5)6/h7-8,10-12,14H,9H2,1-6H3/b8-7-
InChIKeyONTHOXBHCHBUMT-FPLPWBNLSA-N
MW198.35 g/mol
LogP3.63
Rot. Bonds5

About (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol

(Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol (PubChem CID 170848623) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol.

Molecular Properties

Compound Name(Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol
PubChem CID170848623
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol
SMILESCC(C)/C=C\CC(O)(C(C)C)C(C)C
InChIInChI=1S/C13H26O/c1-10(2)8-7-9-13(14,11(3)4)12(5)6/h7-8,10-12,14H,9H2,1-6H3/b8-7-
InChIKeyONTHOXBHCHBUMT-FPLPWBNLSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.63
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

Npc14594
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4,8-Dimethyl-1,7-nonadien-4-ol
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5-Octen-2-ol, 2-methyl-, (E)-
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5-Octen-2-ol, 2-methyl-, (Z)-
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2-[(1R)-4-methylcyclohexa-2,4-dien-1-yl]propan-2-ol
CID 13965283
2,3-Dimethyl-5-hexen-2-ol
CID 85958390
3,4-Dimethyl-5-hexen-3-ol
CID 552025
3-Ethyl-4-methyl-5-hexen-3-ol
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3,7-Dimethyl-4-(prop-1-en-2-yl)octa-1,6-dien-3-ol
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Frequently Asked Questions

What is the IUPAC name of (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol?
The IUPAC name of (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol (CID 170848623) is (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol.
What is the SMILES notation for (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol?
The canonical SMILES for (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol is CC(C)/C=C\CC(O)(C(C)C)C(C)C.
What is the InChIKey of (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol?
The InChIKey is ONTHOXBHCHBUMT-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)8-7-9-13(14,11(3)4)12(5)6/h7-8,10-12,14H,9H2,1-6H3/b8-7-.
What are the key properties of (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol?
(Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol has a molecular weight of 198.35 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,7-dimethyl-3-propan-2-yloct-5-en-3-ol is sourced from PubChem (CID 170848623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).