CID 135081445

C9H17 — CID 135081445

IUPAC—
SMILESC=C(C)[CH]CC(C)(C)C
InChIInChI=1S/C9H17/c1-8(2)6-7-9(3,4)5/h6H,1,7H2,2-5H3
InChIKeySTRVEDPARGAGNK-UHFFFAOYSA-N
MW125.23 g/mol
LogP3.20
Rot. Bonds2

About CID 135081445

CID 135081445 (PubChem CID 135081445) has the molecular formula C9H17 and a molecular weight of 125.23 g/mol.

Molecular Properties

Compound NameCID 135081445
PubChem CID135081445
Molecular FormulaC9H17
Molecular Weight125.23 g/mol
Exact Mass125.13
IUPAC Name—
SMILESC=C(C)[CH]CC(C)(C)C
InChIInChI=1S/C9H17/c1-8(2)6-7-9(3,4)5/h6H,1,7H2,2-5H3
InChIKeySTRVEDPARGAGNK-UHFFFAOYSA-N
XLogP3.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4,4-Trimethyl-1-pentene
CID 7868
1-Hexene, 5,5-dimethyl-
CID 23502
Heptane, 2,2,6,6-tetramethyl-4-methylene-
CID 67334
2,5-Dimethyl-1-hexene
CID 33451
2,4-Dimethyl-1-hexene
CID 519301
2-Methyl-3-methylenehexane
CID 528377
3,3-Dimethyl-1-heptene
CID 423787
Hexane, 3-methyl-4-methylene-
CID 103004
2-Ethyl-4-methyl-1-pentene
CID 520670
2,4,4-Trimethyl-1-hexene
CID 142817
2,4,4,6,6-Pentamethyl-1-heptene
CID 84164
2,3,3-Trimethyl-1-pentene
CID 11216

Frequently Asked Questions

What is the IUPAC name of CID 135081445?
The IUPAC name of CID 135081445 (CID 135081445) is not available.
What is the SMILES notation for CID 135081445?
The canonical SMILES for CID 135081445 is C=C(C)[CH]CC(C)(C)C.
What is the InChIKey of CID 135081445?
The InChIKey is STRVEDPARGAGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17/c1-8(2)6-7-9(3,4)5/h6H,1,7H2,2-5H3.
What are the key properties of CID 135081445?
CID 135081445 has a molecular weight of 125.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081445 is sourced from PubChem (CID 135081445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).