(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene

C13H26O — CID 59039373

IUPAC(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
SMILESC=CC[C@](OC)(C(C)C)C(C)(C)CC
InChIInChI=1S/C13H26O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h8,11H,1,9-10H2,2-7H3/t13-/m0/s1
InChIKeyFZMNNGDKZHUKTK-ZDUSSCGKSA-N
MW198.35 g/mol
LogP4.04
Rot. Bonds6

About (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene

(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene (PubChem CID 59039373) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene.

Molecular Properties

Compound Name(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
PubChem CID59039373
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene
SMILESC=CC[C@](OC)(C(C)C)C(C)(C)CC
InChIInChI=1S/C13H26O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h8,11H,1,9-10H2,2-7H3/t13-/m0/s1
InChIKeyFZMNNGDKZHUKTK-ZDUSSCGKSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-methoxy-3,3-dimethyl-2-propan-2-ylpentan-1-ol
CID 59039602
(3R)-3-ethyl-3-methoxy-2,4-dimethylpentan-2-ol
CID 59039431
4,4-diethyl-5-methylhex-1-ene
CID 23384984
5-ethyl-5-methoxy-6-methylhept-1-ene
CID 23385160
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
4-methoxy-4-propan-2-ylocta-1,7-diene
CID 23385043
(2R)-3-methoxy-2,3-dimethylhex-5-en-1-ol
CID 59910944
4-methoxy-4-prop-2-enylhepta-1,6-diene
CID 164754119
4-ethoxy-4-methoxypent-1-ene
CID 150119013
2-ethyl-N-(1-methoxyethyl)-2-methylpent-4-en-1-amine
CID 139312912
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174
4,4-dimethylpent-1-ene;3,3,4-trimethylhexane
CID 153402313

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene?
The IUPAC name of (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene (CID 59039373) is (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene.
What is the SMILES notation for (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene?
The canonical SMILES for (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene is C=CC[C@](OC)(C(C)C)C(C)(C)CC.
What is the InChIKey of (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene?
The InChIKey is FZMNNGDKZHUKTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H26O/c1-8-10-13(14-7,11(3)4)12(5,6)9-2/h8,11H,1,9-10H2,2-7H3/t13-/m0/s1.
What are the key properties of (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene?
(4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene has a molecular weight of 198.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-5,5-dimethyl-4-propan-2-ylhept-1-ene is sourced from PubChem (CID 59039373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).